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HCID 683409Erstellt: 31. Oktober 2026
1-[(4-chlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazole
1-(4-chlorobenzyl)-5,6-dimethyl-1H-benzimidazole · 1H-Benzimidazole, 1-[(4-chlorophenyl)methyl]-5,6-dimethyl- · 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazole
https://huagongshe.com/de/chemical/683409
Identifikatoren & physikalische Daten
| CAS No. | 141472-79-9 |
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| Summenformel | C16H15ClN2 |
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| Durchschnittliche Molmasse | 270,75 g/mol |
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| Monoisotopische Masse | 270,0923762 g/mol |
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| SMILES | Cc1cc2ncn(Cc3ccc(Cl)cc3)c2cc1C |
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| InChIKey | AGMQHEBJQCVRFK-UHFFFAOYSA-N |
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| PubChem CID | 683409 |
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| ChEMBL | CHEMBL1945694 |
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| EC No. | 173-276-4 |
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Chemische & physikalische Eigenschaften
| XLogP | 4,4 |
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| Polarare Oberfläche (TPSA) | 17,8 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 19 |
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| Formalladung | 0 |
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| Komplexität | 301 |
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| Siedepunkt | 448.6±47.0 °C(Predicted) |
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| Dichte | 1.18±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 5.47±0.10(Predicted) |
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| Aggregatzustand | solid |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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![Molekülstruktur von 1-[(4-chlorophenyl)methyl]-5,6-dimethyl-1H-1,3-benzodiazole](/img/chemical/683409.png)